Ethyl 4-(adamantan-1-yl)-2,4-dioxobutanoate CAS 847955-96-8

Purity 97%+In StockPharmaceutical Standards
CAS No.847955-96-8
Molecular FormulaC16H22O4
Molecular Weight278.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4-(adamantan-1-yl)-2,4-dioxobutanoate CAS 847955-96-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 278.34 g/mol gives Ethyl 4-(adamantan-1-yl)-2,4-dioxobutanoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Ethyl 4-(adamantan-1-yl)-2,4-dioxobutanoate (CAS 847955-96-8), molecular formula C16H22O4 and molecular weight 278.34 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl 4-(adamantan-1-yl)-2,4-dioxobutanoate (C16H22O4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 278.34 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC16H22O4
Molecular Weight278.34 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987

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